MMsINC Database Search


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MMsINC code: MMs01509220

Type: Neutral
Formula: C₁₇H₁₄F₃NO₃

SMILES:

Fc1c(F)c(F)ccc1NC(=O)\C=C\c1cccc(OC)c1OC

InChI:

InChI=1/C17H14F3NO3/c1-23-13-5-3-4-10(17(13)24-2)6-9-14(22)21-12-8-7-11(18)15(19)16(12)20/h3-9H,1-2H3,(H,21,22)/b9-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.468 kcal/mol

Physical Properties
Molecular Weight: 337.297 g/mol	logS: -4.84639	SlogP: 3.773	Reactive groups: 0

Topological Properties
Globularity: 0.0122384	Sterimol/B1: 2.1644	Sterimol/B2: 2.9442	Sterimol/B3: 4.82241
Sterimol/B4: 5.07475	Sterimol/L: 18.468

Surface and Volume Properties
Accessible surface: 567.584	Positive charged surface: 335.036	Negative charged surface: 232.548	Volume: 289.375
Hydrophobic surface: 509.053	Hydrophilic surface: 58.531

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.